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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1,3,4-thiadiazol-2-amine N-[(1R,8aR)-1,2,3,5,6,7,8,8a-oct…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.56 5.58 -39.47 2 4 1 42 225.341 2 ↓
Mid Mid (pH 6-8) 1.56 3.33 -5.55 1 4 0 41 224.333 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1,3,4-thiadiazol-2-amine N-[(1S,8aR)-1,2,3,5,6,7,8,8a-oct…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.56 5.37 -38.71 2 4 1 42 225.341 2 ↓
Mid Mid (pH 6-8) 1.56 3.22 -6.57 1 4 0 41 224.333 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1,3,4-thiadiazole-2-thiol 5-[[(1S,8aS)-1,2,3,5,6,7,8,8a-oc…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.07 6.01 -61.05 2 4 0 42 256.4 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1,3,4-thiadiazole-2-thiol 5-[[(1R,8aS)-1,2,3,5,6,7,8,8a-oc…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.07 5.79 -60.43 2 4 0 42 256.4 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acet 2-[[5-[[(1S,8aS)-1,2,3,5,6,7,8,8…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.52 7.35 -69.16 2 6 0 82 314.436 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acet 2-[[5-[[(1R,8aS)-1,2,3,5,6,7,8,8…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.52 7.13 -68.26 2 6 0 82 314.436 5 ↓

Parameters Provided:

ring.id = 506710
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 506710 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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